cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone

C13H22N2O — CID 83708253

IUPACcyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESO=C(C1CCC1)N1CCC2(CCNCC2)C1
InChIInChI=1S/C13H22N2O/c16-12(11-2-1-3-11)15-9-6-13(10-15)4-7-14-8-5-13/h11,14H,1-10H2
InChIKeyADOAXTMRALWGPX-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.39
Rot. Bonds1

About cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone

cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone (PubChem CID 83708253) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Namecyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone
PubChem CID83708253
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Namecyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone
SMILESO=C(C1CCC1)N1CCC2(CCNCC2)C1
InChIInChI=1S/C13H22N2O/c16-12(11-2-1-3-11)15-9-6-13(10-15)4-7-14-8-5-13/h11,14H,1-10H2
InChIKeyADOAXTMRALWGPX-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone (CID 83708253) is cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone is O=C(C1CCC1)N1CCC2(CCNCC2)C1.
What is the InChIKey of cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone?
The InChIKey is ADOAXTMRALWGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-12(11-2-1-3-11)15-9-6-13(10-15)4-7-14-8-5-13/h11,14H,1-10H2.
What are the key properties of cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone?
cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(2,8-diazaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 83708253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).